Monomers
1-Octene
Identifiers
IUPAC name
oct-1-ene
InchI
InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
InchI Key
KWKAKUADMBZCLK-UHFFFAOYSA-N
SMILES
CCCCCCC=C
Canonical SMILES
CCCCCCC=C
Isomeric SMILES
CCCCCCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H16
Heavy Atom Count
8
Molecular Weight
112.216
Exact Molecular Weight
112.1252
Valence Electrons
48
Radical Electrons
0
tPSA
0.0
MolLogP
3.1428
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
24 23 0 0 0 0 0 0 0 0999 V2000
-3.0969 1.0566 0.4203 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4555 -0.0905 1.1636 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9588 -0.1610 0.9141 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6262 -0.3498 -0.5288 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8690 -0.4232 -0.6929 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6194 0.7787 -0.2482 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0821 0.6456 -0.4365 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5993 -0.4647 -0.9329 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4820 0.7204 -0.5697 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9944 1.4506 0.9686 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3808 1.8773 0.3055 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5836 0.1251 2.2563 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9392 -1.0543 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5813 -1.0378 1.4754 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4952 0.8022 1.2407 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9746 0.4920 -1.1698 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0228 -1.3224 -0.9342 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2191 -1.2905 -0.0613 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1312 -0.7141 -1.7346 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2309 1.6611 -0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4448 1.0172 0.8305 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7167 1.4822 -0.1568 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9824 -1.3059 -1.2159 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6964 -0.5349 -1.0624 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 2 3
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
3 14 1 0
3 15 1 0
4 16 1 0
4 17 1 0
5 18 1 0
5 19 1 0
6 20 1 0
6 21 1 0
7 22 1 0
8 23 1 0
8 24 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers